Geometry & MOs

Info

ID:

47491

PubChem CID:

10533384

Reduced:

S2N7O11C35H47 (1)

Stoich.:

A2B7C11D35E47 (1)

Weight, g/mol:

807.277695

ΔHf, kcal/mol:

-463.2

Dipole, Da:

6.36

IP(EA), eV:

 -8.98(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-pyrrolidin-1-ylphosphanyl]sulfanylethyl] 2-methylpropanethioate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=C(C=C2)O)CO)CCCCN)CC3=CC=C(C=C3)O)C(=O)O

DOS

IR

Vibrations